解像度: 1.7→50 Å / Cor.coef. Fo:Fc: 0.967 / Cor.coef. Fo:Fc free: 0.946 / WRfactor Rfree: 0.27 / WRfactor Rwork: 0.2268 / Occupancy max: 1 / Occupancy min: 0.4 / FOM work R set: 0.6549 / SU B: 4.078 / SU ML: 0.123 / SU R Cruickshank DPI: 0.1269 / SU Rfree: 0.1261 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R Free: 0.126 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES
Rfactor
反射数
%反射
Selection details
Rfree
0.257
1180
4.1 %
RANDOM
Rwork
0.2137
-
-
-
all
0.2155
28515
-
-
obs
0.2155
28515
97.06 %
-
溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.4 Å / 溶媒モデル: BABINET MODEL WITH MASK